RDKit 3D 46 50 0 0 0 0 0 0 0 0999 V2000 0.7076 3.4817 1.4308 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6983 3.6450 0.0471 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2333 2.6191 -0.7766 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2142 1.4083 -0.2218 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2281 1.2700 1.1785 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 2.3003 1.9971 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 0.2768 -1.1345 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0803 -0.1666 -0.8562 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1473 0.5506 -1.6714 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7998 1.3681 -2.5109 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4423 0.2073 -1.3999 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7527 -0.7560 -0.4337 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0849 -1.0873 -0.1897 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3850 -2.0509 0.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3589 -2.6754 1.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0261 -2.3380 1.2339 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7086 -1.3761 0.2746 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3531 -1.0572 0.0555 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5276 -1.1603 -0.9960 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1137 -0.3268 -1.2611 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7457 0.3392 -0.0826 N 0 0 0 0 0 4 0 0 0 0 0 0 3.9126 -0.1361 0.1194 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8996 0.1799 1.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0444 -0.5181 1.0709 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3255 -1.5285 0.0621 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4744 -1.8781 -0.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2029 -1.1661 -0.9187 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1986 -1.2609 -1.7017 N 0 0 0 0 0 4 0 0 0 0 0 0 1.0228 4.3044 2.0731 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0022 4.5994 -0.3838 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1785 2.8017 -1.8512 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6322 0.3720 1.6516 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1804 2.2043 3.0818 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5757 0.5845 -2.1828 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1787 0.6660 -1.9227 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8957 -0.6104 -0.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4216 -2.3174 0.9719 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5995 -3.4265 2.2329 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2357 -2.8302 1.7934 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0254 0.4223 -2.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3225 1.0644 0.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7242 0.9241 1.9134 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8345 -0.3408 1.8048 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2999 -2.0181 0.1331 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7203 -2.6390 -1.6493 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1403 -1.9248 -2.4769 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 7 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 6 1 1 0 18 8 2 0 17 12 1 0 28 20 1 0 27 22 1 0 1 29 1 0 2 30 1 0 3 31 1 0 5 32 1 0 6 33 1 0 7 34 1 6 11 35 1 0 13 36 1 0 14 37 1 0 15 38 1 0 16 39 1 0 20 40 1 0 21 41 1 0 23 42 1 0 24 43 1 0 25 44 1 0 26 45 1 0 28 46 1 0 M CHG 2 21 1 28 1 M END